N-[4-(azepan-1-ylsulfonyl)phenyl]-8-methyl-quinolin-1-ium-4-amine

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-8-methyl-quinolin-1-ium-4-amine Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-8-methyl-quinolin-1-ium-4-amine CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-8-methyl-4-quinolin-1-iumamine IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-8-methylquinolin-1-ium-4-amine Traditional Name: [4-(azepan-1-ylsulfonyl)phenyl]-(8-methylquinolin-1-ium-4-yl)amine Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C(C=C[NH+]=C12)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=CC2=C(C=C[NH+]=C12)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H25N3O2S/c1-17-7-6-8-20-21(13-14-23-22(17)20)24-18-9-11-19(12-10-18)28(26,27)25-15-4-2-3-5-16-25/h6-14H,2-5,15-16H2,1H3,(H,23,24)/p+1